SCHEMBL7572073

SCHEMBL7572073

CSc1ccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)c(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)cc1.O=S(=O)(Nc1cc(-c2cc3ccccc3s2)ccc1NS(=O)(=O)c1ccc(Cl)s1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.44
GSK3B P49841 1/20 0.38
PTPN2 P17706 5/20 0.38
PTPN1 P18031 5/20 0.38
PTPN5 P54829 5/20 0.38
RORC P51449 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CCR9 P51686 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7565871 0.80 GSK3B (0.46) GSK3BPTPN2PTPN1PTPN5RORC
SCHEMBL7565918 0.80 ACLY (0.54) ACLYPTPN2PTPN1PTPN5ALDH1A1
SCHEMBL7588736 0.78 CCR9 (0.45) GSK3BPTPN2PTPN1PTPN5RORC
SCHEMBL7572797 0.78 ACLY (0.49) ACLYGSK3BPTPN2PTPN1PTPN5
SCHEMBL7607342 0.78 CCR9 (0.43) GSK3BPTPN2PTPN1PTPN5RORC
SCHEMBL7569198 0.77 CCR9 (0.44) GSK3BPTPN2PTPN1PTPN5ALDH1A1
SCHEMBL7569556 0.77 PTGES2 (0.46) GSK3BPTPN2PTPN1PTPN5HSPD1
SCHEMBL7584723 0.77 PTPN2 (0.41) GSK3BPTPN2PTPN1PTPN5RORC
SCHEMBL7572137 0.77 GAA (0.42) GSK3BPTPN2PTPN1PTPN5CCR9
SCHEMBL7564347 0.77 ACLY (0.53) ACLYGSK3BHDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002083629-A1 BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES ARROW THERAPEUTICS LIMITED (GB) 2002-10-24 WO disclosed